- InChI
- InChI=1S/C8H9ClO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
- InChI Key
- VWYKSJIPZHRLNO-UHFFFAOYSA-N
- Formula
- C8H9ClO
- SMILES
- Cc1cc(Cl)cc(C)c1O
- Molecular Weight1
- 156.61
- CAS
- 1123-63-3
- Other Names
-
- 4-Chloro-2,6-xylenol
- Phenol, 4-chloro-2,6-dimethyl-
- 2,6-Xylenol, 4-chloro-
- NSC 5785
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -56.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -187.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.66 | Crippen Calculated Property | |
| logPoct/wat | 2.662 | Crippen Calculated Property | |
| McVol | 117.930 | ml/mol | McGowan Calculated Property |
| Pc | 4041.50 | kPa | Joback Calculated Property |
| Tboil | 537.13 | K | Joback Calculated Property |
| Tc | 770.68 | K | Joback Calculated Property |
| Tfus | 373.02 | K | Joback Calculated Property |
| Vc | 0.391 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.37; 299.57] | J/mol×K | [537.13; 770.68] | 
|
| Cp,gas | 247.37 | J/mol×K | 537.13 | Joback Calculated Property |
| Cp,gas | 257.62 | J/mol×K | 576.06 | Joback Calculated Property |
| Cp,gas | 267.16 | J/mol×K | 614.98 | Joback Calculated Property |
| Cp,gas | 276.06 | J/mol×K | 653.91 | Joback Calculated Property |
| Cp,gas | 284.37 | J/mol×K | 692.83 | Joback Calculated Property |
| Cp,gas | 292.19 | J/mol×K | 731.76 | Joback Calculated Property |
| Cp,gas | 299.57 | J/mol×K | 770.68 | Joback Calculated Property |
| η | [0.0000663; 0.0013492] | Pa×s | [373.02; 537.13] |
|
| η | 0.0013492 | Pa×s | 373.02 | Joback Calculated Property |
| η | 0.0006878 | Pa×s | 400.37 | Joback Calculated Property |
| η | 0.0003822 | Pa×s | 427.72 | Joback Calculated Property |
| η | 0.0002279 | Pa×s | 455.07 | Joback Calculated Property |
| η | 0.0001441 | Pa×s | 482.43 | Joback Calculated Property |
| η | 0.0000957 | Pa×s | 509.78 | Joback Calculated Property |
| η | 0.0000663 | Pa×s | 537.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-2,6-dimethylphenol.
Sources
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